Spektraris NMR
Kadcoccilactones I
Common Name: Kadcoccilactones I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H44O10/c1-14-9-19(38-26(14)35)24-15(2)17-10-21(37-16(3)32)28(6)25-18(33)11-20-27(4,5)39-22-12-23(34)40-30(20,22)13-29(25,36)7-8-31(17,28)41-24/h14-15,17-22,24-25,33,36H,7-13H2,1-6H3/t14?,15-,17+,18+,19-,20-,21-,22+,24-,25-,28+,29-,30+,31-/m0/s1
InChIKey: InChIKey=QWSVMFDDOBRKPA-GVFIZCEBSA-N
Formula: C31H44O10
Molecular Weight: 576.676255
Exact Mass: 576.293448
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Gao, X.M., Pu, J.X., Huang, S.X., Lu, Y., Lou, L.G., Li, R.T., Xiao, W.L., Chang, Y., Sun, H.D. J Nat Prod (2008) 71, 1182-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Schiartanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 82.2 |
| 2 (CH2) | 37.7 |
| 3 (C) | 175.9 |
| 4 (C) | 85.5 |
| 5 (CH) | 52.8 |
| 6 (CH2) | 30 |
| 7 (CH) | 71.6 |
| 8 (CH) | 62.3 |
| 9 (C) | 69.6 |
| 10 (C) | 99.8 |
| 11 (CH2) | 42.2 |
| 12 (CH2) | 39.2 |
| 13 (C) | 93.9 |
| 14 (C) | 53.8 |
| 15 (CH) | 83.5 |
| 16 (CH2) | 30.4 |
| 17 (CH) | 53.3 |
| 18 (CH3) | 27 |
| 19 (CH2) | 49.3 |
| 20 (CH) | 34.1 |
| 21 (CH3) | 11.4 |
| 22 (CH) | 90.6 |
| 23 (CH) | 75.5 |
| 24 (CH2) | 34.5 |
| 25 (CH) | 34.8 |
| 26 (C) | 180.9 |
| 27 (CH3) | 16.6 |
| 28 (CH3) | 30.8 |
| 29 (CH3) | 24.7 |
| 15a (C) | 170.3 |
| 15b (CH3) | 21.6 |
